Information card for entry 4121388

Structure parameters

• Formula: C4 H16 Fe3 N4 Se4
• Calculated formula: C4 H16 Fe3 N4 Se4
• Title of publication: Chemical Excision of Tetrahedral FeSe2 Chains from the Superconductor FeSe: Synthesis, Crystal Structure, and Magnetism of Fe3Se4(en)2
• Authors of publication: Chongin Pak; Saeed Kamali; Joyce Pham; Kathleen Lee; Joshua T. Greenfield; Kirill Kovnir
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 19111 - 19114
• a: 17.205 ± 0.002 Å
• b: 7.9085 ± 0.0009 Å
• c: 11.6143 ± 0.0014 Å
• α: 90°
• β: 121.075 ± 0.002°
• γ: 90°
• Cell volume: 1353.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No